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	hartrees
Energy at 0K	-154.354726
Energy at 298.15K	-154.359649
HF Energy	-154.354726
Nuclear repulsion energy	74.311094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3632	16.58
2	A	3027	3019	73.54
3	A	3011	3004	13.44
4	A	2961	2953	26.87
5	A	2848	2841	75.48
6	A	1473	1469	1.30
7	A	1445	1441	11.05
8	A	1416	1412	10.06
9	A	1373	1370	1.13
10	A	1257	1254	103.59
11	A	1160	1157	54.03
12	A	1039	1037	28.99
13	A	1006	1003	13.21
14	A	903	901	9.66
15	A	579	577	19.03
16	A	404	403	30.00
17	A	379	378	126.42
18	A	179	178	2.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.089	0.513	-0.105
C2	1.234	-0.165	0.011
O3	-1.178	-0.345	0.023
H4	-0.230	1.535	0.268
H5	1.302	-1.020	-0.681
H6	2.048	0.535	-0.228
H7	1.427	-0.565	1.030
H8	-1.996	0.183	-0.012

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4910	1.3923	1.0968	2.1480	2.1402	2.1790	1.9375
C2	1.4910		2.4185	2.2576	1.1021	1.0995	1.1111	3.2485
O3	1.3923	2.4185		2.1196	2.6643	3.3527	2.8012	0.9742
H4	1.0968	2.2576	2.1196		3.1257	2.5362	2.7812	2.2417
H5	2.1480	1.1021	2.6643	3.1257		1.7824	1.7744	3.5731
H6	2.1402	1.0995	3.3527	2.5362	1.7824		1.7827	4.0645
H7	2.1790	1.1111	2.8012	2.7812	1.7744	1.7827		3.6552
H8	1.9375	3.2485	0.9742	2.2417	3.5731	4.0645	3.6552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.976	C1	C2	H6	110.507
C1	C2	H7	112.929	C1	O3	H8	108.627
C2	C1	O3	113.990	C2	C1	H4	120.721
O3	C1	H4	116.261	H5	C2	H6	108.114
H5	C2	H7	106.595	H6	C2	H7	107.498

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)

using model chemistry: BLYP/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.073
2	C	-0.605
3	O	-0.465
4	H	0.164
5	H	0.208
6	H	0.198
7	H	0.192
8	H	0.380

	x	y	z	Total
	-0.711	1.218	0.312	1.444
CHELPG
AIM
ESP

	x	y	z
x	5.221	-0.197	0.102
y	-0.197	4.204	0.005
z	0.102	0.005	3.271

<r²>	52.349
(<r²>)^1/2	7.235

All results from a given calculation for CH3CHOH (1-hydroxy-ethyl radical)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)